SCHEMBL2564553

SCHEMBL2564553

CCCCCCCCCCCCCCCCCCOC(=O)C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
CES2 O00748 3/20 0.58
CES1 P23141 3/20 0.58
LMNA P02545 3/20 0.58
ALDH1A1 P00352 3/20 0.58
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PPARG P37231 3/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
CNR2 P34972 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6025145 1.00 TSHR (0.58) TSHRCES2CES1LMNAALDH1A1
SCHEMBL11490166 1.00 TSHR (0.58) TSHRCES2CES1LMNAALDH1A1
SCHEMBL14845461 1.00 TSHR (0.58) TSHRCES2CES1LMNAALDH1A1
SCHEMBL14993129 1.00 TSHR (0.58) TSHRCES2CES1LMNAALDH1A1
SCHEMBL9095301 0.98 CES2 (0.57) TSHRCES2CES1LMNAALDH1A1
SCHEMBL9095382 0.93 CES2 (0.56) TSHRCES2CES1LMNAALDH1A1
SCHEMBL16349103 0.91 TDP1 (0.62) TSHRCES2CES1LMNAALDH1A1
SCHEMBL13875402 0.91 TDP1 (0.62) TSHRCES2CES1LMNAALDH1A1
SCHEMBL14992716 0.88 CES2 (0.50) TSHRCES2CES1LMNAALDH1A1
SCHEMBL14992717 0.88 CES2 (0.50) TSHRCES2CES1LMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490152-B Composition comprising a polymer and an oxidation catalyst DSM IP ASSETS BV 2012-04-18 CN disclosed
EP-2038341-B1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSM IP ASSETS BV (NL) 2011-11-02 EP disclosed
US-20100130695-A1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSM IP ASSETS B.V. (NL) 2010-05-27 US disclosed
CN-101490152-A Composition with a polymer and an oxidation-catalyst DSM IP ASSETS BV (NL) 2009-07-22 CN disclosed
EP-2038341-A1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSMIP Assets B.V. (NL) 2009-03-25 EP disclosed
WO-2008006493-A1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSM IP ASSETS B.V. (NL) 2008-01-17 WO disclosed